(2S,4R)-1-iodo-2,4-dimethylheptane

C9H19I — CID 10848517

IUPAC(2S,4R)-1-iodo-2,4-dimethylheptane
SMILESCCC[C@@H](C)C[C@H](C)CI
InChIInChI=1S/C9H19I/c1-4-5-8(2)6-9(3)7-10/h8-9H,4-7H2,1-3H3/t8-,9+/m1/s1
InChIKeyPATZMACRCJNKEK-BDAKNGLRSA-N
MW254.15 g/mol
LogP3.88
Rot. Bonds5

About (2S,4R)-1-iodo-2,4-dimethylheptane

(2S,4R)-1-iodo-2,4-dimethylheptane (PubChem CID 10848517) has the molecular formula C9H19I and a molecular weight of 254.15 g/mol. Its IUPAC name is (2S,4R)-1-iodo-2,4-dimethylheptane.

Molecular Properties

Compound Name(2S,4R)-1-iodo-2,4-dimethylheptane
PubChem CID10848517
Molecular FormulaC9H19I
Molecular Weight254.15 g/mol
Exact Mass254.05
IUPAC Name(2S,4R)-1-iodo-2,4-dimethylheptane
SMILESCCC[C@@H](C)C[C@H](C)CI
InChIInChI=1S/C9H19I/c1-4-5-8(2)6-9(3)7-10/h8-9H,4-7H2,1-3H3/t8-,9+/m1/s1
InChIKeyPATZMACRCJNKEK-BDAKNGLRSA-N
XLogP3.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.15
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(2R,4S,6R,8S)-1-iodo-2,4,6,8-tetramethylundecane
CID 56970315
2,4,6,8,10,12-hexamethylpentadecane
CID 15607000
2,4,6,8,10,12,14-heptamethylheptadecane
CID 91613417
3,5,7,9,11,13,15-heptamethyloctadecane
CID 20645188
3,5,7,9-tetramethyldodecane
CID 91047062
2,4,6,8,10-pentamethyltridecane
CID 20715673
4-methylheptane
CID 11512
4-methylheptane
CID 91413347
(4R,6S)-4,6-dimethyldodecane
CID 162976966
4,5,7-trimethyldecane
CID 57490926
(4R,6R,8S,10S,16R,18S)-4,6,8,10,16,18-hexamethyldocosane
CID 11474903
3,9,11-trimethyltetradecane
CID 158626683

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-iodo-2,4-dimethylheptane?
The IUPAC name of (2S,4R)-1-iodo-2,4-dimethylheptane (CID 10848517) is (2S,4R)-1-iodo-2,4-dimethylheptane.
What is the SMILES notation for (2S,4R)-1-iodo-2,4-dimethylheptane?
The canonical SMILES for (2S,4R)-1-iodo-2,4-dimethylheptane is CCC[C@@H](C)C[C@H](C)CI.
What is the InChIKey of (2S,4R)-1-iodo-2,4-dimethylheptane?
The InChIKey is PATZMACRCJNKEK-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H19I/c1-4-5-8(2)6-9(3)7-10/h8-9H,4-7H2,1-3H3/t8-,9+/m1/s1.
What are the key properties of (2S,4R)-1-iodo-2,4-dimethylheptane?
(2S,4R)-1-iodo-2,4-dimethylheptane has a molecular weight of 254.15 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-iodo-2,4-dimethylheptane is sourced from PubChem (CID 10848517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).